# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = Al2CoPd # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2024-04-11 r L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 1.379015641e+02 1.379015641e+02 1.30 1.278073054e+02 1.278073054e+02 1.32 1.184421325e+02 1.184421325e+02 1.34 1.097490401e+02 1.097490401e+02 1.36 1.016749230e+02 1.016749230e+02 1.38 9.416989679e+01 9.416989679e+01 1.40 8.718773714e+01 8.718773714e+01 1.42 8.068670230e+01 8.068670230e+01 1.44 7.462991343e+01 7.462991343e+01 1.46 6.898501106e+01 6.898501106e+01 1.48 6.372328906e+01 6.372328906e+01 1.50 5.881864136e+01 5.881864136e+01 1.52 5.424662600e+01 5.424662600e+01 1.54 4.998389686e+01 4.998389686e+01 1.56 4.600807173e+01 4.600807173e+01 1.58 4.229787692e+01 4.229787692e+01 1.60 3.883498796e+01 3.883498796e+01 1.62 3.561572254e+01 3.561572254e+01 1.64 3.262543079e+01 3.262543079e+01 1.66 2.984904673e+01 2.984904673e+01 1.68 2.727372818e+01 2.727372818e+01 1.70 2.488508066e+01 2.488508066e+01 1.72 2.266955110e+01 2.266955110e+01 1.74 2.061429311e+01 2.061429311e+01 1.76 1.870715084e+01 1.870715084e+01 1.78 1.693675593e+01 1.693675593e+01 1.80 1.529266930e+01 1.529266930e+01 1.82 1.376547505e+01 1.376547505e+01 1.84 1.234676698e+01 1.234676698e+01 1.86 1.102904439e+01 1.102904439e+01 1.88 9.805572547e+00 9.805572547e+00 1.90 8.670241108e+00 8.670241108e+00 1.92 7.617421321e+00 7.617421321e+00 1.94 6.641825882e+00 6.641825882e+00 1.96 5.738397439e+00 5.738397439e+00 1.98 4.902255958e+00 4.902255958e+00 2.00 4.128712354e+00 4.128712354e+00 2.02 3.413325562e+00 3.413325562e+00 2.04 2.751962009e+00 2.751962009e+00 2.06 2.140820480e+00 2.140820480e+00 2.08 1.576410571e+00 1.576410571e+00 2.10 1.055501231e+00 1.055501231e+00 2.12 5.750671746e-01 5.750671746e-01 2.14 1.322537271e-01 1.322537271e-01 2.16 -2.756328998e-01 -2.756328998e-01 2.18 -6.511140309e-01 -6.511140309e-01 2.20 -9.965165696e-01 -9.965165696e-01 2.22 -1.313954028e+00 -1.313954028e+00 2.24 -1.605320380e+00 -1.605320380e+00 2.26 -1.872299238e+00 -1.872299238e+00 2.28 -2.116384393e+00 -2.116384393e+00 2.30 -2.338905462e+00 -2.338905462e+00 2.32 -2.541054090e+00 -2.541054090e+00 2.34 -2.723908376e+00 -2.723908376e+00 2.36 -2.888455582e+00 -2.888455582e+00 2.38 -3.035613630e+00 -3.035613630e+00 2.40 -3.166252286e+00 -3.166252286e+00 2.42 -3.281214706e+00 -3.281214706e+00 2.44 -3.381339147e+00 -3.381339147e+00 2.46 -3.467479288e+00 -3.467479288e+00 2.48 -3.540544577e+00 -3.540544577e+00 2.50 -3.601473397e+00 -3.601473397e+00 2.52 -3.651192164e+00 -3.651192164e+00 2.54 -3.690673532e+00 -3.690673532e+00 2.56 -3.720933803e+00 -3.720933803e+00 2.58 -3.743050727e+00 -3.743050727e+00 2.60 -3.758431134e+00 -3.758431134e+00 2.62 -3.768085056e+00 -3.768085056e+00 2.64 -3.772825354e+00 -3.772825354e+00 2.66 -3.773925145e+00 -3.773925145e+00 2.68 -3.772755818e+00 -3.772755818e+00 2.70 -3.769191975e+00 -3.769191975e+00 2.72 -3.763058352e+00 -3.763058352e+00 2.74 -3.754162157e+00 -3.754162157e+00 2.76 -3.742319638e+00 -3.742319638e+00 2.78 -3.727376913e+00 -3.727376913e+00 2.80 -3.709196631e+00 -3.709196631e+00 2.82 -3.687670806e+00 -3.687670806e+00 2.84 -3.662739918e+00 -3.662739918e+00 2.86 -3.634406719e+00 -3.634406719e+00 2.88 -3.602715947e+00 -3.602715947e+00 2.90 -3.567751664e+00 -3.567751664e+00 2.92 -3.529636102e+00 -3.529636102e+00 2.94 -3.488528383e+00 -3.488528383e+00 2.96 -3.444624174e+00 -3.444624174e+00 2.98 -3.398156801e+00 -3.398156801e+00 3.00 -3.349399322e+00 -3.349399322e+00 3.02 -3.298665509e+00 -3.298665509e+00 3.04 -3.246306711e+00 -3.246306711e+00 3.06 -3.192701941e+00 -3.192701941e+00 3.08 -3.138240326e+00 -3.138240326e+00 3.10 -3.083298361e+00 -3.083298361e+00 3.12 -3.028216400e+00 -3.028216400e+00 3.14 -2.973279715e+00 -2.973279715e+00 3.16 -2.918707648e+00 -2.918707648e+00 3.18 -2.864652242e+00 -2.864652242e+00 3.20 -2.811204714e+00 -2.811204714e+00 3.22 -2.758406965e+00 -2.758406965e+00 3.24 -2.706264966e+00 -2.706264966e+00 3.26 -2.654761533e+00 -2.654761533e+00 3.28 -2.603867017e+00 -2.603867017e+00 3.30 -2.553547366e+00 -2.553547366e+00 3.32 -2.503769663e+00 -2.503769663e+00 3.34 -2.454505592e+00 -2.454505592e+00 3.36 -2.405733368e+00 -2.405733368e+00 3.38 -2.357438605e+00 -2.357438605e+00 3.40 -2.309614491e+00 -2.309614491e+00 3.42 -2.262261505e+00 -2.262261505e+00 3.44 -2.215386760e+00 -2.215386760e+00 3.46 -2.169003119e+00 -2.169003119e+00 3.48 -2.123128053e+00 -2.123128053e+00 3.50 -2.077782344e+00 -2.077782344e+00 3.52 -2.032988659e+00 -2.032988659e+00 3.54 -1.988770095e+00 -1.988770095e+00 3.56 -1.945148763e+00 -1.945148763e+00 3.58 -1.902144508e+00 -1.902144508e+00 3.60 -1.859773811e+00 -1.859773811e+00 3.62 -1.818048941e+00 -1.818048941e+00 3.64 -1.776977377e+00 -1.776977377e+00 3.66 -1.736561515e+00 -1.736561515e+00 3.68 -1.696798645e+00 -1.696798645e+00 3.70 -1.657681171e+00 -1.657681171e+00 3.72 -1.619197045e+00 -1.619197045e+00 3.74 -1.581330343e+00 -1.581330343e+00 3.76 -1.544061940e+00 -1.544061940e+00 3.78 -1.507370223e+00 -1.507370223e+00 3.80 -1.471231785e+00 -1.471231785e+00 3.82 -1.435622077e+00 -1.435622077e+00 3.84 -1.400515972e+00 -1.400515972e+00 3.86 -1.365888250e+00 -1.365888250e+00 3.88 -1.331713990e+00 -1.331713990e+00 3.90 -1.297968901e+00 -1.297968901e+00 3.92 -1.264629582e+00 -1.264629582e+00 3.94 -1.231673789e+00 -1.231673789e+00 3.96 -1.199080624e+00 -1.199080624e+00 3.98 -1.166830812e+00 -1.166830812e+00 4.00 -1.134906957e+00 -1.134906957e+00 4.02 -1.103293862e+00 -1.103293862e+00 4.04 -1.071978874e+00 -1.071978874e+00 4.06 -1.040952290e+00 -1.040952290e+00 4.08 -1.010207802e+00 -1.010207802e+00 4.10 -9.797429695e-01 -9.797429695e-01 4.12 -9.495598473e-01 -9.495598473e-01 4.14 -9.196654939e-01 -9.196654939e-01 4.16 -8.900727405e-01 -8.900727405e-01 4.18 -8.608009066e-01 -8.608009066e-01 4.20 -8.318765058e-01 -8.318765058e-01 4.22 -8.033337857e-01 -8.033337857e-01 4.24 -7.752149081e-01 -7.752149081e-01 4.26 -7.475695454e-01 -7.475695454e-01 4.28 -7.204536956e-01 -7.204536956e-01 4.30 -6.939276063e-01 -6.939276063e-01 4.32 -6.680528446e-01 -6.680528446e-01 4.34 -6.428887212e-01 -6.428887212e-01 4.36 -6.184884314e-01 -6.184884314e-01 4.38 -5.948953615e-01 -5.948953615e-01 4.40 -5.721400116e-01 -5.721400116e-01 4.42 -5.502378881e-01 -5.502378881e-01 4.44 -5.291885655e-01 -5.291885655e-01 4.46 -5.089759353e-01 -5.089759353e-01 4.48 -4.895694999e-01 -4.895694999e-01 4.50 -4.709264623e-01 -4.709264623e-01 4.52 -4.529943119e-01 -4.529943119e-01 4.54 -4.357136185e-01 -4.357136185e-01 4.56 -4.190207939e-01 -4.190207939e-01 4.58 -4.028506452e-01 -4.028506452e-01 4.60 -3.871386157e-01 -3.871386157e-01 4.62 -3.718226672e-01 -3.718226672e-01 4.64 -3.568447986e-01 -3.568447986e-01 4.66 -3.421522240e-01 -3.421522240e-01 4.68 -3.276982505e-01 -3.276982505e-01 4.70 -3.134428982e-01 -3.134428982e-01 4.72 -2.993533097e-01 -2.993533097e-01 4.74 -2.854039989e-01 -2.854039989e-01 4.76 -2.715769838e-01 -2.715769838e-01 4.78 -2.578618495e-01 -2.578618495e-01 4.80 -2.442557657e-01 -2.442557657e-01 4.82 -2.307635481e-01 -2.307635481e-01 4.84 -2.173975822e-01 -2.173975822e-01 4.86 -2.041778160e-01 -2.041778160e-01 4.88 -1.911315672e-01 -1.911315672e-01 4.90 -1.782931443e-01 -1.782931443e-01 4.92 -1.657031515e-01 -1.657031515e-01 4.94 -1.534074099e-01 -1.534074099e-01 4.96 -1.414554624e-01 -1.414554624e-01 4.98 -1.298986685e-01 -1.298986685e-01 5.00 -1.187880228e-01 -1.187880228e-01 5.02 -1.081718160e-01 -1.081718160e-01 5.04 -9.809333993e-02 -9.809333993e-02 5.06 -8.858867511e-02 -8.858867511e-02 5.08 -7.968508039e-02 -7.968508039e-02 5.10 -7.140081870e-02 -7.140081870e-02 5.12 -6.374391743e-02 -6.374391743e-02 5.14 -5.671234195e-02 -5.671234195e-02 5.16 -5.029474781e-02 -5.029474781e-02 5.18 -4.447163071e-02 -4.447163071e-02 5.20 -3.921673709e-02 -3.921673709e-02 5.22 -3.449859694e-02 -3.449859694e-02 5.24 -3.028205233e-02 -3.028205233e-02 5.26 -2.652970207e-02 -2.652970207e-02 5.28 -2.320317922e-02 -2.320317922e-02 5.30 -2.026423139e-02 -2.026423139e-02 5.32 -1.767557328e-02 -1.767557328e-02 5.34 -1.540153824e-02 -1.540153824e-02 5.36 -1.340853698e-02 -1.340853698e-02 5.38 -1.166513271e-02 -1.166513271e-02 5.40 -1.014268024e-02 -1.014268024e-02 5.42 -8.815234979e-03 -8.815234979e-03 5.44 -7.659304139e-03 -7.659304139e-03 5.46 -6.653782525e-03 -6.653782525e-03 5.48 -5.779834884e-03 -5.779834884e-03 5.50 -5.020744824e-03 -5.020744824e-03 5.52 -4.361745515e-03 -4.361745515e-03 5.54 -3.789843360e-03 -3.789843360e-03 5.56 -3.293642631e-03 -3.293642631e-03 5.58 -2.863176484e-03 -2.863176484e-03 5.60 -2.489747821e-03 -2.489747821e-03 5.62 -2.165782014e-03 -2.165782014e-03 5.64 -1.884692412e-03 -1.884692412e-03 5.66 -1.640758836e-03 -1.640758836e-03 5.68 -1.429018747e-03 -1.429018747e-03 5.70 -1.245170431e-03 -1.245170431e-03 5.72 -1.085487373e-03 -1.085487373e-03 5.74 -9.467428761e-04 -9.467428761e-04 5.76 -8.261439605e-04 -8.261439605e-04 5.78 -7.212735797e-04 -7.212735797e-04 5.80 -6.300402487e-04 -6.300402487e-04 5.82 -5.506342245e-04 -5.506342245e-04 5.84 -4.814894556e-04 -4.814894556e-04 5.86 -4.212505919e-04 -4.212505919e-04 5.88 -3.687444132e-04 -3.687444132e-04 5.90 -3.229551098e-04 -3.229551098e-04 5.92 -2.830029118e-04 -2.830029118e-04 5.94 -2.481256230e-04 -2.481256230e-04 5.96 -2.176626720e-04 -2.176626720e-04 5.98 -1.910413414e-04 -1.910413414e-04 6.00 -1.677648803e-04 -1.677648803e-04